3QPL
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![BU of 3qpl by Molmil](/molmil-images/mine/3qpl) | G106W mutant of EthR from Mycobacterium tuberculosis | Descriptor: | HTH-type transcriptional regulator EthR | Authors: | Carette, X, Willery, E, Hoos, S, Lecat-Guillet, N, Frenois, F, Dirie, B, Villeret, V, England, P, Deprez, B, Locht, C, Willand, N, Baulard, A. | Deposit date: | 2011-02-14 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2012
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7NTW
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7NTT
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![BU of 7ntt by Molmil](/molmil-images/mine/7ntt) | |
2L23
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1EI5
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![BU of 1ei5 by Molmil](/molmil-images/mine/1ei5) | CRYSTAL STRUCTURE OF A D-AMINOPEPTIDASE FROM OCHROBACTRUM ANTHROPI | Descriptor: | D-AMINOPEPTIDASE | Authors: | Bompard-Gilles, C, Remaut, H, Villeret, V, Prange, T, Fanuel, L, Joris, J, Frere, J.-M, Van Beeumen, J. | Deposit date: | 2000-02-24 | Release date: | 2000-10-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a D-aminopeptidase from Ochrobactrum anthropi, a new member of the 'penicillin-recognizing enzyme' family. Structure Fold.Des., 8, 2000
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4RM6
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![BU of 4rm6 by Molmil](/molmil-images/mine/4rm6) | Crystal structure of Hemopexin Binding Protein | Descriptor: | Heme/hemopexin-binding protein | Authors: | Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P. | Deposit date: | 2014-10-20 | Release date: | 2016-05-18 | Last modified: | 2016-06-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for haem piracy from host haemopexin by Haemophilus influenzae. Nat Commun, 7, 2016
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4RT6
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![BU of 4rt6 by Molmil](/molmil-images/mine/4rt6) | Structure of a complex between hemopexin and hemopexin binding protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heme/hemopexin-binding protein, Hemopexin | Authors: | Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P. | Deposit date: | 2014-11-13 | Release date: | 2016-05-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for haem piracy from host haemopexin by Haemophilus influenzae. Nat Commun, 7, 2016
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1U9N
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![BU of 1u9n by Molmil](/molmil-images/mine/1u9n) | Crystal structure of the transcriptional regulator EthR in a ligand bound conformation opens therapeutic perspectives against tuberculosis and leprosy | Descriptor: | HEXADECYL OCTANOATE, Transcriptional repressor EthR | Authors: | Frenois, F, Engohang-Ndong, J, Locht, C, Baulard, A.R, Villeret, V. | Deposit date: | 2004-08-10 | Release date: | 2004-11-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of EthR in a Ligand Bound Conformation Reveals Therapeutic Perspectives against Tuberculosis Mol.Cell, 16, 2004
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1U9O
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![BU of 1u9o by Molmil](/molmil-images/mine/1u9o) | Crystal structure of the transcriptional regulator EthR in a ligand bound conformation | Descriptor: | HEXADECYL OCTANOATE, Transcriptional repressor EthR | Authors: | Frenois, F, Engohang-Ndong, J, Locht, C, Baulard, A.R, Villeret, V. | Deposit date: | 2004-08-10 | Release date: | 2004-11-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of EthR in a Ligand Bound Conformation Reveals Therapeutic Perspectives against Tuberculosis Mol.Cell, 16, 2004
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7NLC
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![BU of 7nlc by Molmil](/molmil-images/mine/7nlc) | Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide | Descriptor: | AMMONIUM ION, CHLORIDE ION, Protein ORF3, ... | Authors: | Moschidi, D, Dupre, E, Villeret, V, Hanoulle, X. | Deposit date: | 2021-02-22 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide To Be Published
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4DW6
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![BU of 4dw6 by Molmil](/molmil-images/mine/4dw6) | Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis. | Descriptor: | AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ... | Authors: | Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B. | Deposit date: | 2012-02-24 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. J.Med.Chem., 55, 2012
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3SFI
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![BU of 3sfi by Molmil](/molmil-images/mine/3sfi) | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | Descriptor: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | Deposit date: | 2011-06-13 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
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3SDG
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![BU of 3sdg by Molmil](/molmil-images/mine/3sdg) | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | Descriptor: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | Deposit date: | 2011-06-09 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
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4FPP
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![BU of 4fpp by Molmil](/molmil-images/mine/4fpp) | Bacterial phosphotransferase | Descriptor: | GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Fioravanti, A, Clantin, B, Dewitte, F, Lens, Z, Verger, A, Biondi, E, Villeret, V. | Deposit date: | 2012-06-22 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into ChpT, an essential dimeric histidine phosphotransferase regulating the cell cycle in Caulobacter crescentus. Acta Crystallogr.,Sect.F, 68, 2012
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3MPK
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![BU of 3mpk by Molmil](/molmil-images/mine/3mpk) | Crystal Structure of Bordetella pertussis BvgS periplasmic VFT2 domain | Descriptor: | ACETATE ION, GLYCEROL, Virulence sensor protein bvgS | Authors: | Herrou, J, Bompard, C, Wintjens, R, Dupre, E, Willery, E, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F. | Deposit date: | 2010-04-27 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Periplasmic domain of the sensor-kinase BvgS reveals a new paradigm for the Venus flytrap mechanism. Proc.Natl.Acad.Sci.USA, 107, 2010
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3MPL
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![BU of 3mpl by Molmil](/molmil-images/mine/3mpl) | Crystal Structure of Bordetella pertussis BvgS VFT2 domain (Double Mutant F375E/Q461E) | Descriptor: | 1,2-ETHANEDIOL, Virulence sensor protein bvgS | Authors: | Herrou, J, Bompard, C, Wintjens, R, Dupre, E, Willery, E, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F. | Deposit date: | 2010-04-27 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Periplasmic domain of the sensor-kinase BvgS reveals a new paradigm for the Venus flytrap mechanism. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NJT
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![BU of 3njt by Molmil](/molmil-images/mine/3njt) | Crystal structure of the R450A mutant of the membrane protein FhaC | Descriptor: | Filamentous hemagglutinin transporter protein fhaC | Authors: | Clantin, B, Delattre, A.S, Jacob-Dubuisson, F, Villeret, V. | Deposit date: | 2010-06-18 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Functional importance of a conserved sequence motif in FhaC, a prototypic member of the TpsB/Omp85 superfamily. Febs J., 277, 2010
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4Q0C
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![BU of 4q0c by Molmil](/molmil-images/mine/4q0c) | 3.1 A resolution crystal structure of the B. pertussis BvgS periplasmic domain | Descriptor: | Virulence sensor protein BvgS | Authors: | Dupre, E, Herrou, J, Lensink, M.F, Wintjens, R, Lebedev, A, Crosson, S, Villeret, V, Locht, C, Antoine, R, Jacob-Dubuisson, F. | Deposit date: | 2014-04-01 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Virulence Regulation with Venus Flytrap Domains: Structure and Function of the Periplasmic Moiety of the Sensor-Kinase BvgS. Plos Pathog., 11, 2015
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2DVZ
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![BU of 2dvz by Molmil](/molmil-images/mine/2dvz) | Structure of a periplasmic transporter | Descriptor: | CADMIUM ION, GLUTAMIC ACID, Putative exported protein | Authors: | Huvent, I, Belrhali, H, Antoine, R, Bompard, C, Locht, C, Jacob-Dubuisson, F, Villeret, V. | Deposit date: | 2006-08-01 | Release date: | 2006-11-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of Bordetella pertussis BugE solute receptor in a bound conformation ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2F5X
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![BU of 2f5x by Molmil](/molmil-images/mine/2f5x) | Structure of periplasmic binding protein BugD | Descriptor: | ASPARTIC ACID, BugD | Authors: | Huvent, I, Belrhali, H, Antoine, R, Bompard, C, Jacob-Dubuisson, F, Villeret, V. | Deposit date: | 2005-11-28 | Release date: | 2006-01-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal Structure of Bordetella pertussis BugD Solute Receptor Unveils the Basis of Ligand Binding in a New Family of Periplasmic Binding Proteins J.Mol.Biol., 356, 2006
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3TP0
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![BU of 3tp0 by Molmil](/molmil-images/mine/3tp0) | Structural activation of the transcriptional repressor EthR from M. tuberculosis by single amino-acid change mimicking natural and synthetic ligands | Descriptor: | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile, HTH-type transcriptional regulator EthR | Authors: | Carette, X, Blondiaux, N, Willery, E, Hoos, S, Lecat-Guillet, N, Lens, Z, Wohlkonig, A, Wintjens, R, Soror, S, Fr nois, F, Diri, B, Villeret, V, England, P, Lippens, G, Deprez, B, Locht, C, Willand, N, Baulard, A. | Deposit date: | 2011-09-07 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2011
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4I84
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![BU of 4i84 by Molmil](/molmil-images/mine/4i84) | The crystal structure of the Haemophilus influenzae HxuA secretion domain involved in the two-partner secretion pathway | Descriptor: | Heme/hemopexin-binding protein | Authors: | Baelen, S, Dewitte, F, Clantin, B, Villeret, V. | Deposit date: | 2012-12-03 | Release date: | 2013-11-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the secretion domain of HxuA from Haemophilus influenzae. Acta Crystallogr.,Sect.F, 69, 2013
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4M3F
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![BU of 4m3f by Molmil](/molmil-images/mine/4m3f) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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4M3D
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![BU of 4m3d by Molmil](/molmil-images/mine/4m3d) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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4M3E
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![BU of 4m3e by Molmil](/molmil-images/mine/4m3e) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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